MCULE-6629929254-1
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 45 USD | 90 | 23 working days | Get Quote |
5 mg | 73 USD | 90 | 23 working days | Get Quote |
10 mg | 87 USD | 90 | 23 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-6629929254-1.sdf |
SMILES | MCULE-6629929254-1.smiles |
Standard InChI | MCULE-6629929254-1.inchi |
InChIKey | MCULE-6629929254-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-578169608 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-449270273 | ChemDiv | Discovery Chemistry Library | 90 | As is | 135 mg |
P-34573072 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580780273 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-580769367 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | As is | in stock |
P-12913280 | Otava | In-House Stock Library | 90 | As is | 331 mg |
P-23843952 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491134006 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502339934 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22518000 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1 mg |
P-596527210 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.352 g |
Property | Value |
---|---|
Components | 1 |
Mass | 239.272 |
logP | 2.3306 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 50.68 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 71.6227 |
Atoms | 31 |
Rings | 3 |
Heavy atoms | 18 |
Hydrogen atoms | 13 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |